1-(1-methoxycyclohexyl)-5-methylhexan-1-one

C14H26O2 — CID 116748157

IUPAC1-(1-methoxycyclohexyl)-5-methylhexan-1-one
SMILESCOC1(C(=O)CCCC(C)C)CCCCC1
InChIInChI=1S/C14H26O2/c1-12(2)8-7-9-13(15)14(16-3)10-5-4-6-11-14/h12H,4-11H2,1-3H3
InChIKeyANMQCEGLQBKBJJ-UHFFFAOYSA-N
MW226.36 g/mol
LogP3.73
Rot. Bonds6

About 1-(1-methoxycyclohexyl)-5-methylhexan-1-one

1-(1-methoxycyclohexyl)-5-methylhexan-1-one (PubChem CID 116748157) has the molecular formula C14H26O2 and a molecular weight of 226.36 g/mol. Its IUPAC name is 1-(1-methoxycyclohexyl)-5-methylhexan-1-one.

Molecular Properties

Compound Name1-(1-methoxycyclohexyl)-5-methylhexan-1-one
PubChem CID116748157
Molecular FormulaC14H26O2
Molecular Weight226.36 g/mol
Exact Mass226.19
IUPAC Name1-(1-methoxycyclohexyl)-5-methylhexan-1-one
SMILESCOC1(C(=O)CCCC(C)C)CCCCC1
InChIInChI=1S/C14H26O2/c1-12(2)8-7-9-13(15)14(16-3)10-5-4-6-11-14/h12H,4-11H2,1-3H3
InChIKeyANMQCEGLQBKBJJ-UHFFFAOYSA-N
XLogP3.73
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Ethylcyclohexyl(oxo)acetate
CID 11041407
Methyl 3-cyclohexyl-2-oxopropanoate
CID 10702634
4-(2-Methoxypropan-2-yl)cyclohexan-1-one
CID 126481329
Ethyl 3-cyclohexyl-2-oxopropanoate
CID 316609
2-(2-Methoxyethyl)cyclohexanone
CID 566631
Ethanone, 2-(acetyloxy)-1-cyclohexyl-
CID 4318486
Methyl 2-cyclohexyl-2-oxoacetate
CID 11126698
(2R)-2-(2-methoxyethyl)cyclohexan-1-one
CID 11051899
1-Cyclohexyl-2-methoxyethanone
CID 12237915
5-Methoxy-5-methylundecane-2,4-dione
CID 12416286
2,6-Dimethyl-6-methoxy-3,5-dodecanedione
CID 13719533
10-Methoxy-6,10-dimethylundecan-2-one
CID 15595758

Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxycyclohexyl)-5-methylhexan-1-one?
The IUPAC name of 1-(1-methoxycyclohexyl)-5-methylhexan-1-one (CID 116748157) is 1-(1-methoxycyclohexyl)-5-methylhexan-1-one.
What is the SMILES notation for 1-(1-methoxycyclohexyl)-5-methylhexan-1-one?
The canonical SMILES for 1-(1-methoxycyclohexyl)-5-methylhexan-1-one is COC1(C(=O)CCCC(C)C)CCCCC1.
What is the InChIKey of 1-(1-methoxycyclohexyl)-5-methylhexan-1-one?
The InChIKey is ANMQCEGLQBKBJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O2/c1-12(2)8-7-9-13(15)14(16-3)10-5-4-6-11-14/h12H,4-11H2,1-3H3.
What are the key properties of 1-(1-methoxycyclohexyl)-5-methylhexan-1-one?
1-(1-methoxycyclohexyl)-5-methylhexan-1-one has a molecular weight of 226.36 g/mol, XLogP of 3.73, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxycyclohexyl)-5-methylhexan-1-one is sourced from PubChem (CID 116748157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).